dicyclohexyl 3,6-bis(oxidanylidene)-2-(phenylmethyl)sulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dicyclohexyl 3,6-bis(oxidanylidene)-2-(phenylmethyl)sulfonyl-cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dicyclohexyl 2-benzylsulfonyl-3,6-dioxo-cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 3,6-dioxo-2-(phenylmethyl)sulfonylcyclohexa-1,4-diene-1,4-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2-benzylsulfonyl-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2-benzylsulfonyl-3,6-diketo-cyclohexa-1,4-diene-1,4-dicarboxylic acid dicyclohexyl ester Formula: C27H30O8S MolecularWeight: 514.5873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=O)C(=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=O)C(=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C27H30O8S/c28-22-16-21(26(30)34-19-12-6-2-7-13-19)24(29)25(36(32,33)17-18-10-4-1-5-11-18)23(22)27(31)35-20-14-8-3-9-15-20/h1,4-5,10-11,16,19-20H,2-3,6-9,12-15,17H2